N-[6-chloro-2-[6-(trifluoromethyl)pyridine-3-carbonyl]-3,4-dihydro-1H-isoquinolin-5-yl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]acetamide

C25H17ClF7N3O2 — CID 59585586

IUPACN-[6-chloro-2-[6-(trifluoromethyl)pyridine-3-carbonyl]-3,4-dihydro-1H-isoquinolin-5-yl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1F)Nc1c(Cl)ccc2c1CCN(C(=O)c1ccc(C(F)(F)F)nc1)C2
InChIInChI=1S/C25H17ClF7N3O2/c26-18-6-4-15-12-36(23(38)14-5-7-19(34-11-14)25(31,32)33)9-8-16(15)22(18)35-20(37)10-13-2-1-3-17(21(13)27)24(28,29)30/h1-7,11H,8-10,12H2,(H,35,37)
InChIKeyGOVCQPWRIMJJCL-UHFFFAOYSA-N
MW559.87 g/mol
LogP6.29
Rot. Bonds4

About N-[6-chloro-2-[6-(trifluoromethyl)pyridine-3-carbonyl]-3,4-dihydro-1H-isoquinolin-5-yl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]acetamide

N-[6-chloro-2-[6-(trifluoromethyl)pyridine-3-carbonyl]-3,4-dihydro-1H-isoquinolin-5-yl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 59585586) has the molecular formula C25H17ClF7N3O2 and a molecular weight of 559.87 g/mol. Its IUPAC name is N-[6-chloro-2-[6-(trifluoromethyl)pyridine-3-carbonyl]-3,4-dihydro-1H-isoquinolin-5-yl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[6-chloro-2-[6-(trifluoromethyl)pyridine-3-carbonyl]-3,4-dihydro-1H-isoquinolin-5-yl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]acetamide
PubChem CID59585586
Molecular FormulaC25H17ClF7N3O2
Molecular Weight559.87 g/mol
Exact Mass559.09
IUPAC NameN-[6-chloro-2-[6-(trifluoromethyl)pyridine-3-carbonyl]-3,4-dihydro-1H-isoquinolin-5-yl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1F)Nc1c(Cl)ccc2c1CCN(C(=O)c1ccc(C(F)(F)F)nc1)C2
InChIInChI=1S/C25H17ClF7N3O2/c26-18-6-4-15-12-36(23(38)14-5-7-19(34-11-14)25(31,32)33)9-8-16(15)22(18)35-20(37)10-13-2-1-3-17(21(13)27)24(28,29)30/h1-7,11H,8-10,12H2,(H,35,37)
InChIKeyGOVCQPWRIMJJCL-UHFFFAOYSA-N
XLogP6.29
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.87
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[6-chloro-2-[6-(trifluoromethyl)pyridine-3-carbonyl]-3,4-dihydro-1H-isoquinolin-5-yl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-2-[6-(trifluoromethyl)pyridine-3-carbonyl]-3,4-dihydro-1H-isoquinolin-5-yl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[6-chloro-2-[6-(trifluoromethyl)pyridine-3-carbonyl]-3,4-dihydro-1H-isoquinolin-5-yl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]acetamide (CID 59585586) is N-[6-chloro-2-[6-(trifluoromethyl)pyridine-3-carbonyl]-3,4-dihydro-1H-isoquinolin-5-yl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[6-chloro-2-[6-(trifluoromethyl)pyridine-3-carbonyl]-3,4-dihydro-1H-isoquinolin-5-yl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[6-chloro-2-[6-(trifluoromethyl)pyridine-3-carbonyl]-3,4-dihydro-1H-isoquinolin-5-yl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]acetamide is O=C(Cc1cccc(C(F)(F)F)c1F)Nc1c(Cl)ccc2c1CCN(C(=O)c1ccc(C(F)(F)F)nc1)C2.
What is the InChIKey of N-[6-chloro-2-[6-(trifluoromethyl)pyridine-3-carbonyl]-3,4-dihydro-1H-isoquinolin-5-yl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is GOVCQPWRIMJJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClF7N3O2/c26-18-6-4-15-12-36(23(38)14-5-7-19(34-11-14)25(31,32)33)9-8-16(15)22(18)35-20(37)10-13-2-1-3-17(21(13)27)24(28,29)30/h1-7,11H,8-10,12H2,(H,35,37).
What are the key properties of N-[6-chloro-2-[6-(trifluoromethyl)pyridine-3-carbonyl]-3,4-dihydro-1H-isoquinolin-5-yl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]acetamide?
N-[6-chloro-2-[6-(trifluoromethyl)pyridine-3-carbonyl]-3,4-dihydro-1H-isoquinolin-5-yl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 559.87 g/mol, XLogP of 6.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-2-[6-(trifluoromethyl)pyridine-3-carbonyl]-3,4-dihydro-1H-isoquinolin-5-yl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 59585586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).